N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine

C14H17FN2S — CID 105015235

IUPACN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cccc(C)c1F
InChIInChI=1S/C14H17FN2S/c1-3-16-12(9-13-17-7-8-18-13)11-6-4-5-10(2)14(11)15/h4-8,12,16H,3,9H2,1-2H3
InChIKeyZECNVKMEBLHPDD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.48
Rot. Bonds5

About N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine

N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105015235) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105015235
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cccc(C)c1F
InChIInChI=1S/C14H17FN2S/c1-3-16-12(9-13-17-7-8-18-13)11-6-4-5-10(2)14(11)15/h4-8,12,16H,3,9H2,1-2H3
InChIKeyZECNVKMEBLHPDD-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565
[1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324660
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106645514
[1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105250390
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377456
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015176
1-(4-chloro-3-methylphenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015167
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
[1-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324603

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 105015235) is N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1cccc(C)c1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZECNVKMEBLHPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-16-12(9-13-17-7-8-18-13)11-6-4-5-10(2)14(11)15/h4-8,12,16H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105015235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).